O-ethyl N-prop-2-enylcarbamothioate

O-ethyl N-prop-2-enylcarbamothioate 基本信息
CAS号 817-97-0 分子式 C6H11NOS
分子量 145.22300 精确质量  145.05600
PSA  53.35000 LogP  1.47430

基本信息 展开↓

CAS号:
817-97-0
3D弹球模型:
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分子式:
C6H11NOS
分子量:
145.22300
英文名称:
O-ethyl N-prop-2-enylcarbamothioate
英文别名:
O-ethyl N-prop-2-enylcarbamothioate;
O-Ethyl 2-propenylcarbamothioate;
N-Allyl-thiourethan;
N-allyl O-ethyl thiocarbamate;
N-Allyl-O-ethylthionocarbamate;
allyl-thiocarbamic acid O-ethyl ester;
N-Allylthiocarbamic acid O-ethyl ester;
WLN: SUYO2&Allyl-thiocarbamidsaeure-O-aethylester;
M2U1;
CARBAMIC ACID,N-ALLYLTHIO-,O-ETHYL ESTER;
O-Ethyl allylthiocarbamate
精确分子量/精确质量:
145.05600
极性分子表面积/PSA:
53.35000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: ZRPRNLNEYWYWLO-UHFFFAOYSA-N

物化性质展开↓

密度:
1.016g/cm3
沸点:
170ºC at 760 mmHg
闪点:
56.6ºC
折射率:
1.502

合成路线查看所有的合成路线

  • 140-89-6

    乙基黄原酸钾

  • +

  • 107-11-9

    烯丙胺

  • ~94%

  • 817-97-0

    O-ethyl N-prop-2-enylcarbamothioate

  • 57-06-7

    异硫氰酸烯丙酯

  • ~91%

  • 817-97-0

    O-ethyl N-prop-2-enylcarbamothioate

  • 64-17-5

    乙醇

  • +

  • 57-06-7

    异硫氰酸烯丙酯

  • ~80%

  • 817-97-0

    O-ethyl N-prop-2-enylcarbamothioate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EY8513500
CHEMICAL NAME :
Carbamic acid, N-allylthio-, O-ethyl ester
CAS REGISTRY NUMBER :
817-97-0
BEILSTEIN REFERENCE NO. :
1756412
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H11-N-O-S
MOLECULAR WEIGHT :
145.24
WISWESSER LINE NOTATION :
SUYO2&M2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00499

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  • 141-52-6

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